HuLiS Changelog

New in version 2.9.2

May 20th, 2013
  • a clean up button so the molecule looks nicer.
  • a compatibility with C. Landis and F. Weinhold NBO-NRT method (Natural Bond Orbital Natural Resonance Theory) as embedded in the Gaussian software.
  • the capability to read xyz coordinates (.xyz files) and simple gaussian (.com) inputs (gaussian can include with NBO - NRT strings)
  • a significant increase of the speed for Lewis structures weight calculation (about 100 times faster for large systems)
  • the possibility to user-define generic Xx atoms (number of neighbor + change the h_x and h_xy integrals)
  • a better orbital drawing
  • atoms symbol can be used for drawing
  • the preference menu is improved (choose : circles and/or atoms representation for drawing, orbitals proportion, number of digit for energies and/or orbitals)
  • extended event log for bug tracking.
  • buttons + menu are a bit reshaped
  • compatibility issue with firefox and Mac OS 10.6+ has been fixed
  • generate all Lewis structure is now displayed by default

New in version 2.8.2 (October 17th, 2012)

  • A Preferences menu item has been added in File menu.